N-(cycloheptylideneamino)-2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(cycloheptylideneamino)-2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cycloheptylideneamino)acetamide CAS Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(cycloheptylideneamino)acetamide IUPAC Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cycloheptylideneamino)acetamide Traditional Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]-N-(cycloheptylideneamino)acetamide Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NN=C2CCCCCC2)CNC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NN=C2CCCCCC2)CNC3=CC=CC=C3

InChI

InChI=1S/C21H28N6OS/c1-2-14-27-19(15-22-17-10-8-5-9-11-17)24-26-21(27)29-16-20(28)25-23-18-12-6-3-4-7-13-18/h2,5,8-11,22H,1,3-4,6-7,12-16H2,(H,25,28)