2-phenyl-5-phenylsulfanyl-3H-1,3,4-benzotriazepine

Systemtic Name: 2-phenyl-5-phenylsulfanyl-3H-1,3,4-benzotriazepine Openeye Name: 2-phenyl-5-phenylsulfanyl-3H-1,3,4-benzotriazepine CAS Name: 2-phenyl-5-(phenylthio)-3H-1,3,4-benzotriazepine IUPAC Name: 2-phenyl-5-phenylsulfanyl-3H-1,3,4-benzotriazepine Traditional Name: 2-phenyl-5-(phenylthio)-3H-1,3,4-benzotriazepine Formula: C20H15N3S MolecularWeight: 329.4182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=NN2)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=NN2)SC4=CC=CC=C4

InChI

InChI=1S/C20H15N3S/c1-3-9-15(10-4-1)19-21-18-14-8-7-13-17(18)20(23-22-19)24-16-11-5-2-6-12-16/h1-14H,(H,21,22)