(3S)-2-azanylidene-3-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]butanedinitrile

Systemtic Name: (3S)-2-azanylidene-3-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]butanedinitrile Openeye Name: (2S)-2-[[4-(4-tert-butylthiazol-2-yl)phenyl]methyleneamino]-2-cyano-acetimidoyl cyanide CAS Name: (2S)-2-[[4-(4-tert-butyl-2-thiazolyl)phenyl]methylideneamino]-3-iminobutanedinitrile IUPAC Name: (2S)-2-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]-2-cyanoethanimidoyl cyanide Traditional Name: (2S)-2-[[4-(4-tert-butylthiazol-2-yl)benzylidene]amino]-3-imino-succinonitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=NC(C#N)C(=N)C#N

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=N[C@H](C#N)C(=N)C#N

InChI

InChI=1S/C18H17N5S/c1-18(2,3)16-11-24-17(23-16)13-6-4-12(5-7-13)10-22-15(9-20)14(21)8-19/h4-7,10-11,15,21H,1-3H3/t15-/m1/s1