5-azanyl-2-[(phenylmethyl)amino]-1,3,4-thiadiazepine-6,7-dicarbonitrile

Systemtic Name: 5-azanyl-2-[(phenylmethyl)amino]-1,3,4-thiadiazepine-6,7-dicarbonitrile Openeye Name: 5-amino-2-(benzylamino)-1,3,4-thiadiazepine-6,7-dicarbonitrile CAS Name: 5-amino-2-[(phenylmethyl)amino]-1,3,4-thiadiazepine-6,7-dicarbonitrile IUPAC Name: 5-amino-2-(benzylamino)-1,3,4-thiadiazepine-6,7-dicarbonitrile Traditional Name: 5-amino-2-(benzylamino)-1,3,4-thiadiazepine-6,7-dicarbonitrile Formula: C13H10N6S MolecularWeight: 282.3237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(C(=C(S2)C#N)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(C(=C(S2)C#N)C#N)N

InChI

InChI=1S/C13H10N6S/c14-6-10-11(7-15)20-13(19-18-12(10)16)17-8-9-4-2-1-3-5-9/h1-5H,8H2,(H2,16,18)(H,17,19)