2-[7-ethyl-5-(4-methoxyphenyl)-2-oxidanylidene-3H-thieno[2,3-e][1,4]diazepin-1-yl]ethanenitrile

Systemtic Name: 2-[7-ethyl-5-(4-methoxyphenyl)-2-oxidanylidene-3H-thieno[2,3-e][1,4]diazepin-1-yl]ethanenitrile Openeye Name: 2-[7-ethyl-5-(4-methoxyphenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]acetonitrile CAS Name: 2-[7-ethyl-5-(4-methoxyphenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]acetonitrile IUPAC Name: 2-[7-ethyl-5-(4-methoxyphenyl)-2-oxo-3H-thieno[2,3-e][1,4]diazepin-1-yl]acetonitrile Traditional Name: 2-[7-ethyl-2-keto-5-(4-methoxyphenyl)-3H-thieno[2,3-e][1,4]diazepin-1-yl]acetonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=C(C=C3)OC)CC#N

Isomeric SMILES

CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=C(C=C3)OC)CC#N

InChI

InChI=1S/C18H17N3O2S/c1-3-14-10-15-17(12-4-6-13(23-2)7-5-12)20-11-16(22)21(9-8-19)18(15)24-14/h4-7,10H,3,9,11H2,1-2H3