(3S,4R)-6-azanyl-2-azanylidene-5-(1,3-benzothiazol-2-yl)-4-(4-dimethylaminophenyl)-3,4-dihydrothiopyran-3-carbonitrile

Systemtic Name: (3S,4R)-6-azanyl-2-azanylidene-5-(1,3-benzothiazol-2-yl)-4-(4-dimethylaminophenyl)-3,4-dihydrothiopyran-3-carbonitrile Openeye Name: (3S,4R)-6-amino-5-(1,3-benzothiazol-2-yl)-4-(4-dimethylaminophenyl)-2-imino-3,4-dihydrothiopyran-3-carbonitrile CAS Name: (3S,4R)-6-amino-5-(1,3-benzothiazol-2-yl)-4-(4-dimethylaminophenyl)-2-imino-3,4-dihydrothiopyran-3-carbonitrile IUPAC Name: (3S,4R)-6-amino-5-(1,3-benzothiazol-2-yl)-4-(4-dimethylaminophenyl)-2-imino-3,4-dihydrothiopyran-3-carbonitrile Traditional Name: (3S,4R)-6-amino-5-(1,3-benzothiazol-2-yl)-4-(4-dimethylaminophenyl)-2-imino-3,4-dihydrothiopyran-3-carbonitrile Formula: C21H19N5S2 MolecularWeight: 405.53906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(=N)SC(=C2C3=NC4=CC=CC=C4S3)N)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2[C@H](C(=N)SC(=C2C3=NC4=CC=CC=C4S3)N)C#N

InChI

InChI=1S/C21H19N5S2/c1-26(2)13-9-7-12(8-10-13)17-14(11-22)19(23)28-20(24)18(17)21-25-15-5-3-4-6-16(15)27-21/h3-10,14,17,23H,24H2,1-2H3/t14-,17+/m1/s1