N-[(4-cyanophenyl)carbamoyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C18H15N7O2S MolecularWeight: 393.4224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H15N7O2S/c1-12(28-18-22-23-24-25(18)15-5-3-2-4-6-15)16(26)21-17(27)20-14-9-7-13(11-19)8-10-14/h2-10,12H,1H3,(H2,20,21,26,27)